N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C592-0424 |
| Compound Name: | N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C27 H25 N5 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nnc(CNC(c2ccccc2)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8012 |
| logD: | 3.8012 |
| logSw: | -4.054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.431 |
| InChI Key: | YJSQKCWFXGSCIQ-UHFFFAOYSA-N |